General Property |
Molceule ID (DB) | EGIN0001302 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 10 compound |
IUPAC Name | N'-[(4-amino-6-{[4-(benzyloxy)-3-chlorophenyl]amino}pyrimidin-5-yl)carbonyl]-3-(morpholin-4-yl)propanehydrazide |
Formula | C25H28ClN7O4 |
Mass | 525.987 |
Exact Mass | 525.1891301 |
Composition | C (57.09%), H (5.37%), Cl (6.74%), N (18.64%), O (12.17%) |
Atom Count | 65 |
PI | 8.18 |
Smiles | c1(ncnc(c1C(=O)NNC(=O)CCN1CCOCC1)N)Nc1cc(c(cc1)OCc1ccccc1)Cl |
InChI | 1S/C25H28ClN7O4/c26-19-14-18(6-7-20(19)37-15-17-4-2-1-3-5-17)30-24-22(23(27)28-16-29-24)25(35)32-31-
21(34)8-9-33-10-12-36-13-11-33/h1-7,14,16H,8-13,15H2,(H,31,34)(H,32,35)(H3,27,28,29,30) |
InChIKey | QXIJLZUHVBQWAZ-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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View Structure in Jmol | Click to view 3 d structure Download Mol File |
Drug Like Property | Druglikeliness |
Symmetry & Geometry | Symmetry And Geometrical Information |
Activity & Binding | Activity against isoform and covalant binding information |
Topological Properties | Descriptors |
Reference | 18678484 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | Aurora A | CDK1 | VEGFR2 | ALL |
Pub Chem Link |
44562431
|
Drug Bank Link | - |
ChemSpider Link | 23331533 |
ChEMBL Link | CHEMBL472544 |